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Back ChemicalBook Home>CAS DataBase List>1145-56-8More Spectrum> CHLOROACETYL-L-TYROSINE(1145-56-8) IR1

CHLOROACETYL-L-TYROSINE(1145-56-8) IR1

Molecular FormulaC11H12ClNO4

Molecular Weight257.67

InChIInChI=1S/C11H12ClNO4/c12-6-10(15)13-9(11(16)17)5-7-1-3-8(14)4-2-7/h1-4,9,14H,5-6H2,(H,13,15)(H,16,17)/t9-/m0/s1

InChIKey GDOGSOZOUAVIFX-VIFPVBQESA-N

SmilesC(O)(=O)[C@H](CC1=CC=C(O)C=C1)NC(CCl)=O


  • Mass

    MS-NW-2480          
    N-chloroacetyl-L-tyrosine
    C11H12ClNO4         (Mass of molecular ion:    257)
    

       Source Temperature: 230 °C
       Sample Temperature: 180 °C
       Direct, 75 eV
    

          18.0       3.3
          27.0       1.4
          28.0       2.6
          36.0       9.5
          38.0       3.0
          39.0       2.1
          42.0       1.2
          43.0       3.2
          44.0       1.1
          49.0       1.1
          51.0       1.8
          52.0       1.2
          53.0       1.3
          65.0       1.0
          77.0       6.8
          78.0       2.3
          79.0       1.3
          91.0       1.6
         106.0       1.2
         107.0     100.0
         108.0       9.2
         133.0       4.0
         134.0       1.1
         135.0       1.4
         136.0       1.4
         147.0       1.3
         163.0       1.4
         164.0      25.6
         165.0       2.6
         203.0       1.1
         221.0       1.0
    

400 MHz in DMSO-d6


  • 1H NMR 399.65 MHz
    C11 H12 Cl N O4 0.041 g : 0.5 ml DMSO-d6
    N-chloroacetyl-L-tyrosine
    ChemicalStructure
        Assign.     Shift(ppm)
    A *1 13. B *1 9. C 8.43 D 7.004 E 6.664 F 4.375 G 4.071 J *2 2.958 K *2 2.810 J(C,F)=8.1HZ J(J,K)=-13.9HZ J(F,J)=4.9HZ J(F,K)=8.8HZ

         Hz     ppm     Int.
    

       3373.64   8.442    153
       3365.52   8.422    156
       2803.75   7.016    335
       2795.20   6.995    385
       2670.41   6.682     62
       2667.85   6.676    410
       2661.22   6.659    135
       2659.30   6.655    391
       1759.90   4.404     48
       1754.77   4.391     62
       1751.35   4.383     97
       1746.44   4.370     93
       1743.23   4.362     68
       1738.32   4.350     51
       1626.99   4.072   1000
       1193.00   2.986     68
       1188.08   2.973     73
       1179.11   2.951    103
       1174.19   2.939     98
       1133.17   2.836    100
       1124.41   2.814    101
       1119.28   2.801     74
       1110.52   2.779     67
    

in DMSO-d6



KBr disc



nujol mull



CHLOROACETYL-L-TYROSINE(1145-56-8) IR1 Atlas of Related Products

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